Meso-Tetra(4-carboxyphenyl)porphine

Catalog Number

ACM14609542-1

CAS

14609-54-2

Structure

Synonyms

4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-benzoicacid

IUPAC Name

4-[10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoicacid

Molecular Weight

790.77

Molecular Formula

C48H30N4O8

Canonical SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)N3)C(=O)O

InChI

InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)

InChI Key

HHDUMDVQUCBCEY-UHFFFAOYSA-N

Melting Point

>300 °C

Purity

97%

Density

1.462 ± 0.06 g/ml

Solubility

In water, 2.87X10-10 mg/L at 25 °C (est)

Appearance

Purple solid

Storage

Room temperature

• Catalog Number: ACM14609542-1
• CAS: 14609-54-2
• Synonyms: 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-benzoicacid
• IUPAC Name: 4-[10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoicacid
• Molecular Weight: 790.77
• Molecular Formula: C48H30N4O8
• Canonical SMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)N3)C(=O)O
• InChI: InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
• InChI Key: HHDUMDVQUCBCEY-UHFFFAOYSA-N
• Melting Point: >300 °C
• Purity: 97%
• Density: 1.462 ± 0.06 g/ml
• Solubility: In water, 2.87X10-10 mg/L at 25 °C (est)
• Appearance: Purple solid
• Storage: Room temperature